Molecule

ID:127351

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃
Molecular Mass
197.231
Exact Mass
197.10519335
Charge
0
InChI
InChI=1S/C10H15NO3/c1-2-7(11)10(14)6-3-4-8(12)9(13)5-6/h3-5,7,10,12-14H,2,11H2,1H3
InChIKey
LENNRXOJHWNHSD-UHFFFAOYSA-N
Canonic Smiles
CCC(C(c1ccc(c(c1)O)O)O)N
Isomeric Smiles
Oc1ccc(cc1O)C(O)C(N)CC
Calculated Properties
JChem
Acid pKa
9.669223
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-2.1705396
LogD (pH = 7.4)
-1.1230876
Log P
0.09875007
Molar Refractivity
53.3985
Polarizability
21.049858
Polar Surface Area
86.71
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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